Protein

Biocomputations complement experimental techniques to expand our understanding of proteins, molecules which carry out critical functions within our bodies and which have been associated with diseases such as Alzheimer's and cystic fibrosis.

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News

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ForceBalance version 1.7.0 released!

ForceBalance : Systematic Force Field Optimization Dec 3, 2019
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OpenSim gets high marks as a multibody system simulator

Simbody: Multibody Physics API Aug 3, 2015
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Macromolecular Simulation Software Workshop featuring OpenMM

OpenMM Jul 15, 2015

Publications

SBMOpenMM: A Builder of Structure-Based Models for OpenMM

P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, and V. S. Pande. "OpenMM 7: Rapid development of high performance algorithms for molecular dynamics." PLOS Comp. Biol. 13(7): e1005659.

HTMD: High-Throughput Molecular Dynamics for Molecular Discovery

Discussion

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Re: Drone

Simbody: SimTK multibody dynamics API May 28, 2023
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Openmm and The octanol/water partition coefficient (Kow)

OpenMM Apr 27, 2023
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alchemical tutorial, OpenMM 8.0 problem

OpenMM Apr 25, 2023

SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

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